SCHEMBL1034834

SCHEMBL1034834

Cc1ccnc(NC(=O)c2cccc3ccc(-c4cccc(C(F)(F)F)c4)nc23)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 3/20 0.57
KMO O15229 1/20 0.47
PHGDH O43175 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
PARP1 P09874 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
FGFR4 P22455 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
JAK2 O60674 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1034305 0.90 KMO (0.49) SORT1KMOCNR1CNR2PIK3CD
SCHEMBL1035365 0.82 PHGDH (0.46) SORT1KMOPHGDHCNR1CNR2
SCHEMBL1033871 0.81 FGFR4 (0.51) KMOCNR2PARP1L3MBTL1FGFR4
SCHEMBL1034072 0.81 JAK2 (0.51) KMOCNR1CNR2L3MBTL1JAK2
SCHEMBL1033800 0.81 KMO (0.47) KMOKMT2A
SCHEMBL1032901 0.81 NPC1 (0.50) CNR1CNR2L3MBTL1NPC1RAB9A
SCHEMBL17772340 0.81 DHODH (0.42) SORT1KMOCNR1CNR2PIK3CD
SCHEMBL1030361 0.81 AR (0.42) SORT1KMOCNR1CNR2PIK3CD
SCHEMBL1073743 0.81 ADORA2A (0.48) SORT1KMOCNR1CNR2PIK3CD
SCHEMBL1034065 0.81 RXFP1 (0.53) PARP1RAB9AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 SORT1 4643/4885KMO 256/4885PHGDH 1559/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.